SCHEMBL8937875

SCHEMBL8937875

CCCCCCCC1CC=C(c2ccc(-c3ccc(-c4ccc(OCC)c(F)c4F)cc3)cc2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.33
PDE5A O76074 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ESR2 Q92731 2/20 0.31
ESR1 P03372 1/20 0.30
RARB P10826 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8932609 0.99 NAAA (0.34) NAAAPDE5AHDAC1HDAC6ESR2
SCHEMBL8937764 0.95 PTPN11 (0.34) ESR2RARB
SCHEMBL8937756 0.95 PTPN11 (0.34) ESR2RARB
SCHEMBL8937878 0.95 PTPN11 (0.34) ESR2RARB
SCHEMBL8937749 0.95 PTPN11 (0.34) ESR2RARB
SCHEMBL8937752 0.95 PTPN11 (0.34) ESR2RARB
SCHEMBL8937743 0.95 PTPN11 (0.34) ESR2RARB
SCHEMBL8937928 0.95 PTPN11 (0.34) ESR2RARB
SCHEMBL8937967 0.95 PTPN11 (0.34) ESR2RARB
SCHEMBL8937772 0.95 RARA (0.33) ESR2RARB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed